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At least 703 records · Page 39

Spatial Optimization of Multiscale Biorefinery Deployment for a Diversified Bioeconomy in the United States

Strategic biorefinery siting is critical for a diversified bioeconomy, yet industry, policy, and research often focus on either large-scale biofuel plants or smaller-scale specialty bioproduct facilities, with limited coordination across scales. We address this gap by modeling biorefinery deployment spanning a 28-fold difference in capacity. We developed an open-source, spatially explicit framework integrating techno-economic analysis with logistics and refinery cost surrogate models to evaluate multiscale miscanthus-derived biorefineries across the rainfed U.S. for the production of ethanol, succinic acid, lactic acid, potassium sorbate, and acrylic acid. Overall costs change little as feedstock density increases, while transport distances decrease by ∼30 to 67% (∼100 km) and siting flexibility improves. Specifically, a 5-fold feedstock density increase (2% to 10% of suitable land) reduces minimum selling prices by <10% (e.g., 0.27 USD·gal –1 for ethanol). This limited economic sensitivity suggests dense planting is not required for competitive deployment, particularly for smaller-scale facilities. Representing collection areas as irregular rather than circular expands the feasible space under low-density scenarios. While large-scale refineries anchor regional supply chains, smaller facilities retain spatial flexibility even when large refineries are established. These findings highlight the importance of spatial representation and multiscale coordination for robust, regionally tailored biomanufacturing networks to advance renewable carbon integration without extensive land conversion.

biorefinery siting↗

Effect of modeled time horizon on quantifying the need for long-duration storage

Long-Duration Energy Storage (LDES) has gained interest due to its key role in attaining a decarbonized, low-cost, and stable grid driven by variable renewable electricity (VRE). Currently, there is a wide range of LDES technologies being developed to provide electricity with 8+ hours of consecutive discharge. However, current capacity expansion models used in long-term planning processes rarely consider low cost LDES as a candidate technology. If they do, the storage balancing horizon (SBH) of the model usually only considers non-consecutive 1-day periods that do not capture the potential of LDES to shift energy across multiple days or even seasons. Addressing these limitations in existing models, this work explores the ways in which the optimal energy storage changes when increasing the number of consecutive days in the SBH and how these changes will impact planners who are determining the future roles of energy storage. Our analysis uses SWITCH, an open-source capacity expansion model with a high spatial resolution for the entire Western Electricity Coordinating Council (WECC) in a zero-carbon scenario in 2050. We find that the number of consecutive days in the SBH changes both the total selected power and energy capacity of LDES when storage energy and power capacity overnight costs are $\$$13 USD/kWh (or less) and $113 USD/kW, respectively. We also find that the amount of required energy in storage to drive a future VRE-driven WECC grid ranges from 2.5 TWh to 16.0 TWh depending on the length of the SBH. The optimal storage duration (energy to power ratio) we obtain ranges from 10 h to 620 h among all the scenarios. Furthermore, depending on the storage cost assumption, we observe different charge/discharge patterns when varying the length of the SBH. Given our results, we anticipate that as more LDES technologies become commercially available, it will be critical to increase the length of the SBH to fully capture the benefits of LDES assets in long-term planning processes of high VRE-driven grids.

42 ENGINEERING↗

Engineering Single-Atom Cobalt Catalysts toward Improved Electrocatalysis

In this paper, the development of cost-effective catalysts to replace noble metal is attracting increasing interests in many fields of catalysis and energy, and intensive efforts are focused on the integration of transition-metal sites in carbon as noble-metal-free candidates. Recently, the discovery of single-atom dispersed catalyst (SAC) provides a new frontier in heterogeneous catalysis. However, the electrocatalytic application of SAC is still subject to several theoretical and experimental limitations. Further advances depend on a better design of SAC through optimizing its interaction with adsorbates during catalysis. Here, distinctive from previous studies, favorable 3d electronic occupation and enhanced metal-adsorbates interactions in single-atom centers via the construction of nonplanar coordination is achieved, which is confirmed by advanced X-ray spectroscopic and electrochemical studies. The as-designed atomically dispersed cobalt sites within nonplanar coordination show significantly improved catalytic activity and selectivity toward the oxygen reduction reaction, approaching the benchmark Pt-based catalysts. More importantly, the illustration of the active sites in SAC indicates metal-natured catalytic sites and a media-dependent catalytic pathway. Achieving structural and electronic engineering on SAC that promotes its catalytic performances provides a paradigm to bridge the gap between single-atom catalysts design and electrocatalytic applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Improving photovoltaic hosting capacity of distribution networks with coordinated inverter control: A case study of the EPRI J1 feeder

Abstract Adding photovoltaic (PV) systems in distribution networks, while desirable for reducing the carbon footprint, can lead to voltage violations under high solar‐low load conditions. The inability of traditional volt‐VAr control in eliminating all the violations is also well‐known. This article presents a novel coordinated inverter control methodology that leverages system‐wide situational awareness to significantly improve hosting capacity (HC). The methodology employs a real‐time voltage‐reactive power (VQ) sensitivity matrix in an iterative linear optimizer to calculate the minimum reactive power intervention from PV inverters needed for mitigating over‐voltage without resorting to active power curtailing or requiring step voltage regulator setting changes. The algorithm is validated using the EPRI J1 feeder under an extensive set of realistic use cases and is shown to provide 3x improvement in HC under all scenarios.

Dalal, Dhaval [School of Electrical, Computer, and↗

Packetized Energy Management: Coordinating Transmission and Distribution (Final Report)

The project Packetized Energy Management (PEM): Coordinating Transmission and Distribution was part of the ARPA-E NODES program from 2015 to 2023. The high-level goal of the project was to develop and demonstrate novel, scalable, and impactful technologies related to the coordination of networked distributed energy resources (DERs). By demonstrating responsive means by which fleets of DERs could be coordinated to enhance grid operation and reliability, the U.S. could accelerate renewable integration and electrification efforts and meet decarbonization goals.

25 ENERGY STORAGE↗

Advanced HVAC Humidity Control for Hot-Humid Climates

During this project we develop and validate a cost-effective, integrated control solution to improve humidity control and comfort for energy-efficient homes in hot-humid climates. This study focuses on developing a strategy that is effective, field tested, and practical for builders to install with minimal disruption to standard practices. A successful solution would simplify the transition to high-performance humidity control and be the basis for design and installation guidance. By relying on the central system as a starting point, the strategy employed minimizes system complexity and cost for builders, while improving comfort and operating cost for homeowners. The solution strategy was to coordinate the cooling, dehumidification, and ventilation functions of central, ducted HVAC systems to better control indoor humidity, improve occupant thermal comfort, and capture energy savings. The primary strategic goals were to: (1) optimize dehumidification by the central air-conditioning system, particularly during part-load conditions, using conventional equipment with modified control settings and lower system airflows; (2) maximize ventilation during heating/cooling on-cycles, to “bank” and condition outdoor ventilation air, and minimize ventilation during off-cycles; (3) quantify the effectiveness and energy impact of the dehumidification and ventilation strategies, while identifying a metric that would be useful to evaluate latent effectiveness. For the test houses in our study, located in Richmond Hill, Georgia; Houston, Texas; and Monroe, Louisiana we observed: (1) the indoor humidity did not exceed 60% RH during the monitored cooling season for 99% of the time in Richmond Hill, 96% of the time in Houston, and 90% of the time in Monroe; (2) the dehumidification strategy improved the steady-state latent capacity of the HVAC system at design conditions by 16% to 49% at the Houston test house and by 28% to 71% at the Monroe test house, depending on which mode the system was operating in; and (3) the good results at the test houses were primarily due to the amount of time the air-conditioning system operated in ramping or dehumidification modes, or both, particularly during the early cooling season. This study demonstrates that air conditioners or heat pumps with a single-stage compressor can provide good humidity control without the need for a two-stage or variable-stage compressor system. The airflow and control settings for ramping and dehumidification modes are critical to control indoor humidity in hot-humid climates, particularly during part-load and shoulder season conditions. The dehumidification strategy used in this study did not jeopardize the mechanical reliability of the cooling equipment. The strategies used in this study are applicable across various equipment brands, models, and efficiency levels, and also applicable to a broad range of homes in hot-humid climates. Results will vary by specific equipment, location, and house configuration and construction.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Transient Stability Study of a Real-World Microgrid with 100% Renewables: Preprint

This paper performs a transient stability study of a real-world microgrid with 100% renewables to fully understand the stability and reliability of the microgrid under various dynamic scenarios. In particular, the operation of multiple grid-forming (GFM) and grid-following (GFL) inverters in such a power system is not well understood under dynamic operation conditions, such as islanding and black start; therefore, in this paper, the full-scale electromagnetic transient modeling of the microgrid is developed to investigate the stability of the system under various dynamic operating conditions and to identify potential reliability risks. The PSCAD/EMTDC simulation with the high-fidelity model provides helpful insights into the optimal operation modes of GFM and GFL inverters as well as the stability and reliability of the microgrid, which gives good references for the field deployment in terms of inverter configuration and coordination as well as the capabilities of black start and unplanned islanding.

100% renewable microgrid↗

Mitigating Cascading Outages in Severe Weather Using Simulation-Based Optimization

Severe weather events can trigger cascading power outages and lead to significant losses. In this work, we investigate cascading outage mitigation under severe weather conditions. Given day-ahead weather forecasts and component failure models, we aim to identify a set of power lines that can be hardened to minimize the expected impact of potential cascading outages. Since the expected load shedding cannot be expressed as an explicit function of line hardening decisions and system states, we developed a cascading outage simulator to estimate the expected value of load shedding under various initial weather-related disruption scenarios generated using a weather forecast. To avoid massive enumeration of all possible combinations of line hardening decisions and reduce the simulation efforts, we employed an efficient simulation-based optimization approach that quickly identifies the (near) optimal line hardening decisions in the presence of both large simulation noises due to the highly variable initial disturbances and system states, and significant randomness in the subsequent cascades. Furthermore, the algorithm is also able to utilize parallel computing to dramatically reduce computation time to support decision making in preparation for severe weather conditions. We performed a case study on the Northeast Power Coordinating Council (NPCC) 140-bus system model to demonstrate that our approach can significantly improve power grid resilience to adverse weather events.

24 POWER TRANSMISSION AND DISTRIBUTION↗

A fast reduced model for a shell-and-tube based latent heat thermal energy storage heat exchanger and its application for cost optimal design by nonlinear programming

Numerical simulation of latent heat thermal energy storage (LHTES) systems plays a fundamental role in studying the physical process and guiding the engineering design. Discretization of the PDEs describing the nonlinear solidification/melting process of phase change materials (PCMs) leads to a large-scale complex dynamics system, where the system behavior depends on a set of parameters. In a design setting, repeated model evaluations are required over the set of parameters results in significant computational burden. In this paper, an explicit analytic solution was built for the propagation of the solidification front in a cylindrical coordinate. The analytic solution approach is further employed to develop a low computational reduced model (RM) as a module for a shell-and-tube based LHTES heat exchanger. The levelized Cost of Energy (LCOE) is used as a design metric and the RM model is used to apply system-level constraints in the nonlinear programming formulation that facilitates efficient global optimal design of the PCM properties, flow conditions and tube geometries. The use of LCOE as the design metric prevents over design of the heat transfer rate and also establishes a fair ground for evaluation of different thermal storage technologies and their integrated applications with other systems. Optimal results showed that a higher effectiveness results in a higher LCOE; the velocity of the HTF and the length of the channel are highly correlated with each other; both larger PCM latent energy and conductivity result in lower LCOE.

25 ENERGY STORAGE↗

Interactions of Oxide Surfaces with Water Revealed with Solid-State NMR Spectroscopy

Hydrous materials are ubiquitous in the natural environment and efforts have previously been made to investigate the structures and dynamics of hydrated surfaces for their key roles in various chemical and physical applications, with the help of theoretical modeling and microscopy techniques. However, an overall atomic-scale understanding of the water–solid interface, including the effect of water on surface ions, is still lacking. Herein, we employ ceria nanorods with different amounts of water as an example and demonstrate a new approach to explore the water–surface interactions by using solid-state NMR in combination with density functional theory. NMR shifts and relaxation time analysis provide detailed information on the local structure of oxygen ions and the nature of water motion on the surface: the amount of molecularly adsorbed water decreases rapidly with increasing temperature (from room temperature to 150 °C), whereas hydroxyl groups are stable up to 150 °C, and dynamic water molecules are found to instantaneously coordinate to the surface oxygen ions. Additionally, the applicability of dynamic nuclear polarization for selective detection of surface oxygen species is also compared to conventional NMR with surface selective isotopic-labeling: the optimal method depends on the feasibility of enrichment and the concentration of protons in the sample. These results provide new insight into the interfacial structure of hydrated oxide nanostructures, which is important to improve performance for various applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Stochastic assessment of distributed generation hosting capacity and energy efficiency in active distribution networks

Active network management (ANM) aims to increase the capacity of variable distributed generation (DG), which can be connected to existing distribution networks. In this study, it is proposed to simultaneously consider the efficient use of energy resources when high shares of DG are procured through the ANM approach. To that end, a multi-period and multiobjective optimisation algorithm, based on the linearised optimal power flow, is formulated. The algorithm seeks to maximise the installed capacity of DG while minimising the energy losses and consumption of voltage-dependent loads. The objectives are optimised considering the coordinated operation of voltage regulators and on-load tap changers, and the management of DG generation curtailment and reactive power compensation from DG. Additionally, the effects of load and generation uncertainties are addressed through a two-stage stochastic programming formulation of the multiobjective problem. The result is a set of non-inferior solutions, which allows exploring the degree of conflict among the objectives. The proposed approach was tested on two IEEE test feeders and the solutions show a significant improvement in the system's energy efficiency with a low impact on the amount of connected DG.

Quijano, Darwin Alexis↗

Multi-Factor-Coupled, Ahead-of-Time Aggregation of Power Flexibility Under Forecast Uncertainty

The increasing penetration of distributed energy resources (DERs) is significantly reshaping the role of distribution systems under active energy management. To aggregate the active-reactive power flexibility of DERs dispersed at the feeder and provide capacity support to the transmission system, it is essential to efficiently identify feasible substation power injection trajectories. This paper introduces a novel ahead-of-time flexibility characterization method to address it. First, a polyhedral non-feeder-level power flexibility region (PFR) is constructed, accounting for various time-dependent, power-coupled, and forecast error uncertainties. Then, a polyhedral feeder-level PFR is analytically derived through a coordinate transformation, which can reveal the uncertainty propagation path, i.e., how uncertainty applies to the feeder-level PFR. To facilitate the high-level application, a tractable chance-constrained Chebyshev centering optimization model is further developed to find a ball-shaped inner approximation of the feeder-level PFR. Finally, the proposed method is validated on a modified IEEE 123-bus test system. Here, both theoretical and experimental results show that, with appropriate robustness parameter settings, the proposed method can make the approximated PFR less conservative with abundant robustness against forecast error uncertainty.

24 POWER TRANSMISSION AND DISTRIBUTION↗

District Energy Corporation SW 40th Street Thermal Energy Plant

The overall deliverable from the project is the design, construction and commissioning of a detention facility heating and cooling system that minimizes ownership costs and maximizes efficiency (and therefore minimizes environmental impact). The primary deliverables were the proof of concept for the application of geothermal systems for an institutional facility and the ongoing, quarterly system operating data downloads to the Department of Energy . The primary advantage of geothermal based heat pump systems is the higher efficiency of the system compared to a conventional chiller, boiler, cooling tower based system. The higher efficiency results in a smaller environmental foot print and lower energy costs for the detention facility owner, Lancaster County. The higher efficiency for building cooling is primarily due to a more constant compressor condensing temperature with the geothermal well field acting as a thermal “sink” (in place of the conventional system’s cooling tower). In the heating mode, Ground Couple Heat Pump (GCHP) systems benefits from the advantage of a heat pump Coefficient of Performance (COP) of approximately 3.6, significantly better than a conventional gas boiler. The geothermal well field acting as a thermal “source” allows the heat pumps to operate efficiently in the heating mode regardless of ambient temperatures. The well field is partially located in a wetland with a high water table so, over time, the project will be able to identify the thermal loading characteristics of a well field located in a high water table location. The project demonstrated how a large geothermal well field can be installed in a wetland area in an economical and environmentally sound manner. Finally, the SW 40th Street Thermal Energy Plant project demonstrates the benefits of providing domestic hot water energy, as well as space heating, to help balance well filed thermal loading in a cooling dominated application. During the period of August 2012 thru March 2014, with the detention facility occupied for the final seven months, the well field supply water temperatures to the heat pumps dropped to a minimum of 39°F and reached a maximum temperature of 68 °F while providing 15,819 MMBtu of cooling energy and 27,467 MMBtu of heating energy. During this period the peak recorded system cooling load was 610 tons and the peak heating load was 8.4 MMBtu. The DEC is currently evaluating the most beneficial electric rate for plant operations. Total project cost of $16.9 million was approximately $3.2 million less than the estimate provided in the grant application. The reduction in project costs were primarily due to favorable construction material prices as well as strong competition in the local construction contractor market. The DEC plant reached the substantial completion milestone in December 2011 and began providing thermal service to the detention facility in January 2012 when the building’s HVAC system was ready to accept heating service. The plant reached commercial operating status on August 1, 2012. However, due to construction delays, the detention facility was not occupied until September of 2013. The detention facility construction delays also impacted the installation and commissioning of the project’s dedicated domestic hot water heat pump. Final coordination with the detention facility’s building management system vendor to establish network links for the exchange of date is currently being completed. This will allow the development of control sequences for the optimal operation of the domestic hot water system.

15 GEOTHERMAL ENERGY↗

Dynamic Multi-Sensor Multi-Mission Optimal Planning Tool

Remote sensing systems have firmly established a role in providing immense value to commercial industry, scientific exploration, and national security. Continued maturation of sensing technology has reduced the cost of deploying highly-capable sensors while at the same time increased reliance on the information these sensors can provide. The demand for time on these sensors is unlikely to diminish. Coordination of next-generation sensor systems, larger constellations of satellites, unmanned aerial vehicles, ground telescopes, etc. is prohibitively complex for existing heuristics-based scheduling techniques. The project was a two-year collaboration spanning multiple Sandia centers and included a partnership with Texas A&M University. We have developed algorithms and software for collection scheduling, remote sensor field-of-view pointing models, and bandwidth-constrained prioritization of sensor data. Our approach followed best practices from the operations research and computational geometry communities. These models provide several advantages over state of the art techniques. In particular, our approach is more flexible compared to heuristics that tightly couple models and solution techniques. First, our mixed-integer linear models afford a rigorous analysis so that sensor planners can quantitatively describe a schedule relative to the best possible. Optimal or near-optimal schedules can be produced with commercial solvers in operational run-times. These models can be modified and extended to incorporate different scheduling and resource constraints and objective function definitions. Further, we have extended these models to proactively schedule sensors under weather and ad hoc collection uncertainty. This approach stands in contrast to existing deterministic schedulers which assume a single future weather or ad hoc collection scenario. The field-of-view pointing algorithm produces a mosaic with the fewest number of images required to fully cover a region of interest. The bandwidth-constrained algorithms find the highest priority information that can be transmitted. All of these are based on mixed-integer linear programs so that, in the future, collection scheduling, field-of-view, and bandwidth prioritization can be combined into a single problem. Experiments conducted using the developed models, commercial solvers, and benchmark datasets have demonstrated that proactively scheduling against uncertainty regularly and significantly outperforms deterministic schedulers.

47 OTHER INSTRUMENTATION↗

Spectral optimization simulation of white light based on the photopic eye-sensitivity curve

Spectral optimization simulation of white light is studied to boost maximum attainable luminous efficacy of radiation at high color-rendering index (CRI) and various color temperatures. The photopic eye-sensitivity curve V(λ) is utilized as the dominant portion of white light spectra. Emission spectra of a blue InGaN light-emitting diode (LED) and a red AlInGaP LED are added to the spectrum of V(λ) to match white color coordinates. It is demonstrated that at the condition of color temperature from 2500 K to 6500 K and CRI above 90, such white sources can achieve spectral efficacy of 330–390 lm/W, which is higher than the previously reported theoretical maximum values. We show that this eye-sensitivity-based approach also has advantages on component energy conversion efficiency compared with previously reported optimization solutions.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Analytical gradients of complete active space self-consistent field energies using Cholesky decomposition: Geometry optimization and spin-state energetics of a ruthenium nitrosyl complex

We present a formulation of analytical energy gradients at the complete active space self-consistent field (CASSCF) level of theory employing density fitting (DF) techniques to enable efficient geometry optimizations of large systems. As an example, the ground and lowest triplet state geometries of a ruthenium nitrosyl complex are computed at the DF-CASSCF level of theory and compared with structures obtained from density functional theory (DFT) using the B3LYP, BP86, and M06L functionals. The average deviation of all bond lengths compared to the crystal structure is 0.042 Å at the DF-CASSCF level of theory, which is slightly larger but still comparable with the deviations obtained by the tested DFT functionals, e.g., 0.032 Å with M06L. Specifically, the root-mean-square deviation between the DF-CASSCF and best DFT coordinates, delivered by BP86, is only 0.08 Å for S{sub 0} and 0.11 Å for T{sub 1}, indicating that the geometries are very similar. While keeping the mean energy gradient errors below 0.25%, the DF technique results in a 13-fold speedup compared to the conventional CASSCF geometry optimization algorithm. Additionally, we assess the singlet-triplet energy vertical and adiabatic differences with multiconfigurational second-order perturbation theory (CASPT2) using the DF-CASSCF and DFT optimized geometries. It is found that the vertical CASPT2 energies are relatively similar regardless of the geometry employed whereas the adiabatic singlet-triplet gaps are more sensitive to the chosen triplet geometry.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Hydration of divalent lanthanides, Sm 2+ and Eu 2+ : A molecular dynamics study with polarizable AMOEBA force field

The chemistry of divalent lanthanides, Ln 2+ , is a growing sub-field of heavy element chemistry owing to new synthetic approaches. However, some theoretical aspects of these unusual cations are currently underdeveloped, especially as they relate to their dynamic properties in solution. In this study, we address the hydration of two of the classical Ln 2+ cations, Sm 2+ and Eu 2+ , using atomic multipole optimized energetic for biomolecular applications (AMOEBA) force fields. These cations have not been parameterized to date with AMOEBA, and few studies are available because of their instability with respect to oxidation in aqueous media. Coordination numbers (CN's) of 8.2 and 8.1 respectively for Sm 2+ and Eu 2+ , and 8.8 for both Sm 3+ and Eu 3+ have been obtained and are in good agreement with the few available AIMD and X-ray absorption fine structures studies. The decreased CN of Ln 2+ compared with Ln 3+ arises from progressive water exchange events that indicates the gradual stabilization of 8-coordinate structures with respect to 9-coordinate geometries. Moreover, the effects of the chloride counter anions on the coordination of Ln 2+ cations have been studied at different chloride concentrations in this work. Lastly, water exchange times of Ln 2+ cations have been calculated to provide a comprehensive understanding of the behavior of Eu 2+ and Sm 2+ in aqueous chloride media.

AMOEBA force field parameterization↗

Insights into Copper Sulfide Formation from Cu and S K edge XAS and DFT studies

An understanding of the fundamentals of the reaction between CuO with trace amounts of H 2 S to form CuS products is critical for the optimal utilization of this process in sulfur removal applications. Unfortunately, CuS is a complex material, featuring various Cu 2-x S compounds (with 0 ≤ x ≤ 1), distorted crystal phases, and varying electronic structures and coordination environments of Cu and S ions. In this work, we combine ex situ and in situ X-ray absorption spectroscopy (XAS) at S and Cu K edges, fixed bed sorption experiments, DFT simulations, and other characterization techniques to speciate the CuS products formed at different temperatures (298–383 K) and from CuO sorbents with different crystallite sizes (2.8–40 nm). The results of our analysis identify the formation of a distorted CuS layer at the surface of CuO crystals with disulfide groups with shorter Cu–S bonds and higher delocalization of the positive charge of the Cu center into (S 1– )2. This distorted CuS layer dominates the XAS signal at lower temperatures (298–323 K) and at the initial stages of sulfidation at higher temperatures (353 and 383 K) where conversion is low (<40%). First-principles atomistic simulations confirm the thermodynamic favorability of the formation of surface (S 1– )2 on both CuO (111) and ($\bar{1}11$) surfaces, providing further support for our experimental observations. Furthermore, these simulations reveal that the presence of disulfide bonds stabilized surface hydroxyl groups, leading to lower Gibbs Free Energies of their surface migration.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗